SCHEMBL31286299

SCHEMBL31286299

CC[C@H](C)[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 5/20 0.58
▸ EDNRA P25101 1/20 0.57
▸ MAGI3 Q5TCQ9 1/20 0.56
▸ ACE P12821 2/20 0.55
▸ KMT2A Q03164 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ PCSK9 Q8NBP7 1/20 0.52
▸ ECE1 P42892 4/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ CASP3 P42574 1/20 0.51
▸ CASP4 P49662 1/20 0.51
▸ CASP5 P51878 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ CASP9 P55211 1/20 0.51
▸ CASP6 P55212 1/20 0.51
▸ CASP8 Q14790 1/20 0.51
▸ CASP10 Q92851 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31286301 1.00 GHSR (0.58) GHSREDNRAMAGI3ACEKMT2A
SCHEMBL31286300 1.00 GHSR (0.58) GHSREDNRAMAGI3ACEKMT2A
SCHEMBL31286298 0.99 GHSR (0.58) GHSREDNRAMAGI3ACEKMT2A
SCHEMBL30051825 0.91 ACE (0.64) EDNRAACEKMT2AL3MBTL1ECE1
SCHEMBL29867952 0.89 GHSR (0.62) GHSRACEECE1
SCHEMBL30533191 0.88 EDNRA (0.61) GHSREDNRAMAGI3ACEKMT2A
SCHEMBL31593374 0.88 GHSR (0.64) GHSRACE
SCHEMBL30092974 0.88 EDNRA (0.61) GHSREDNRAMAGI3PCSK9ECE1
SCHEMBL30093006 0.87 EDNRA (0.61) GHSREDNRAMAGI3PCSK9ECE1
SCHEMBL30974377 0.86 GHSR (0.57) GHSRMAGI3ACE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119345325-A Polypeptide composition with antibacterial activity and preparation method thereof 南通奥凯生物技术开发有限公司 2025-01-24 — — CN disclosed
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